1-(oxetan-3-ylmethyl)pyrazol-4-amine

C7H11N3O — CID 118280755

IUPAC1-(oxetan-3-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(CC2COC2)c1
InChIInChI=1S/C7H11N3O/c8-7-1-9-10(3-7)2-6-4-11-5-6/h1,3,6H,2,4-5,8H2
InChIKeyYRZFNERDHGIDPU-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.11
Rot. Bonds2

About 1-(oxetan-3-ylmethyl)pyrazol-4-amine

1-(oxetan-3-ylmethyl)pyrazol-4-amine (PubChem CID 118280755) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(oxetan-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxetan-3-ylmethyl)pyrazol-4-amine
PubChem CID118280755
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(oxetan-3-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(CC2COC2)c1
InChIInChI=1S/C7H11N3O/c8-7-1-9-10(3-7)2-6-4-11-5-6/h1,3,6H,2,4-5,8H2
InChIKeyYRZFNERDHGIDPU-UHFFFAOYSA-N
XLogP0.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(oxetan-3-ylmethyl)pyrazol-4-amine (CID 118280755) is 1-(oxetan-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(oxetan-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(oxetan-3-ylmethyl)pyrazol-4-amine is Nc1cnn(CC2COC2)c1.
What is the InChIKey of 1-(oxetan-3-ylmethyl)pyrazol-4-amine?
The InChIKey is YRZFNERDHGIDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-7-1-9-10(3-7)2-6-4-11-5-6/h1,3,6H,2,4-5,8H2.
What are the key properties of 1-(oxetan-3-ylmethyl)pyrazol-4-amine?
1-(oxetan-3-ylmethyl)pyrazol-4-amine has a molecular weight of 153.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 118280755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).